4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol

C10H14BrNO2 — CID 117404007

IUPAC4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol
SMILESCCc1cc(Br)cc(CNOC)c1O
InChIInChI=1S/C10H14BrNO2/c1-3-7-4-9(11)5-8(10(7)13)6-12-14-2/h4-5,12-13H,3,6H2,1-2H3
InChIKeyHSEHCCGGEJPMJO-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.37
Rot. Bonds4

About 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol

4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol (PubChem CID 117404007) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol
PubChem CID117404007
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol
SMILESCCc1cc(Br)cc(CNOC)c1O
InChIInChI=1S/C10H14BrNO2/c1-3-7-4-9(11)5-8(10(7)13)6-12-14-2/h4-5,12-13H,3,6H2,1-2H3
InChIKeyHSEHCCGGEJPMJO-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-bromo-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466745
1-(5-bromo-2-methylsulfonylphenyl)-N-methoxymethanamine
CID 117474479
5-tert-butyl-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117323974
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 155598143
1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
CID 117393283
2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol?
The IUPAC name of 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol (CID 117404007) is 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol?
The canonical SMILES for 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol is CCc1cc(Br)cc(CNOC)c1O.
What is the InChIKey of 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol?
The InChIKey is HSEHCCGGEJPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-3-7-4-9(11)5-8(10(7)13)6-12-14-2/h4-5,12-13H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol?
4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol has a molecular weight of 260.13 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-[(methoxyamino)methyl]phenol is sourced from PubChem (CID 117404007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).